Rb5Na6Tl
Alexandria ALEXAlex-ID: agm006136152 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_52_spg12
Na5Tl2 Rb Na
2023-09-01 23:27:05.626391
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136152).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006136152
data_agm006136152
_cell_length_a 12.40775
_cell_length_b 8.00102
_cell_length_c 8.07894
_cell_angle_alpha 60.31852
_cell_angle_beta 83.88073
_cell_angle_gamma 77.56857
_cell_volume 680.46315
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1 Na 0.77793 0.81295 1.00000 1.00000
Na2 Na 0.78378 0.07019 0.25695 1.00000
Na3 Na 0.21622 0.67286 0.25695 1.00000
Na4 Na 0.21622 0.92981 0.74305 1.00000
Na5 Na 0.78378 0.32714 0.74305 1.00000
Na6 Na 0.22207 0.18705 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Rb1 Rb 0.50000 0.17581 0.64839 1.00000
Rb2 Rb 1.00000 0.66433 0.67135 1.00000
Rb3 Rb 0.00000 0.33567 0.32865 1.00000
Rb4 Rb 0.50000 0.50000 0.00000 1.00000
Rb5 Rb 0.50000 0.82419 0.35161 1.00000
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